3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

C16H19N3O3 — CID 119211592

IUPAC3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-3-11(2)14(16(21)22)17-15(20)13-9-10-19(18-13)12-7-5-4-6-8-12/h4-11,14H,3H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyBBTBIKXCAUNZMU-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.10
Rot. Bonds6

About 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid

3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 119211592) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID119211592
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C16H19N3O3/c1-3-11(2)14(16(21)22)17-15(20)13-9-10-19(18-13)12-7-5-4-6-8-12/h4-11,14H,3H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyBBTBIKXCAUNZMU-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-[(2S)-1-ethylsulfonylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 95322595
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
4-methoxy-2-[(1-phenylpyrazole-3-carbonyl)amino]butanoic acid
CID 120702722
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
N-(1-amino-4-methylpentan-2-yl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119588721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid (CID 119211592) is 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is BBTBIKXCAUNZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-11(2)14(16(21)22)17-15(20)13-9-10-19(18-13)12-7-5-4-6-8-12/h4-11,14H,3H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid?
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).